4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole

C14H16FNO2 — CID 142421331

IUPAC4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc(OCCc2c(C)noc2C)ccc1F
InChIInChI=1S/C14H16FNO2/c1-9-8-12(4-5-14(9)15)17-7-6-13-10(2)16-18-11(13)3/h4-5,8H,6-7H2,1-3H3
InChIKeyHBVNXANYVPIPPG-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.36
Rot. Bonds4

About 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole

4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 142421331) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID142421331
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc(OCCc2c(C)noc2C)ccc1F
InChIInChI=1S/C14H16FNO2/c1-9-8-12(4-5-14(9)15)17-7-6-13-10(2)16-18-11(13)3/h4-5,8H,6-7H2,1-3H3
InChIKeyHBVNXANYVPIPPG-UHFFFAOYSA-N
XLogP3.36
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
4-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 84603511
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-[bis(4-methylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71494295
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-ol
CID 43326466
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole (CID 142421331) is 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole is Cc1cc(OCCc2c(C)noc2C)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HBVNXANYVPIPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-8-12(4-5-14(9)15)17-7-6-13-10(2)16-18-11(13)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 249.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 142421331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).